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18268-54-7 | 1-Naphthalenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-
CAS No: 18268-54-7 Catalog No: AG002420 MDL No:
Product Description
Catalog Number:
AG002420
Chemical Name:
1-Naphthalenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-
CAS Number:
18268-54-7
Molecular Formula:
C20H14N2O4S
Molecular Weight:
378.4012
IUPAC Name:
4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
InChI:
InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)
InChI Key:
JSAKRLDIZOGQTN-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)cccc2
EC Number:
242-148-0
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.067g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.402g/mol
Monoisotopic Mass:
378.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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